Summary

IMPPAT Phytochemical identifier: IMPHY010048

Phytochemical name: 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3-dimethyl-

Synonymous chemical names:
de-n-methyl-noracronycine, de-n-methylnoracro-nycine

External chemical identifiers:
CID:5479541, ChEMBL:CHEMBL454569

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Chemical structure information

SMILES:
Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)cccc1

InChI:
InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)

InChIKey:
RPWNPBFZWFWZNJ-UHFFFAOYSA-N

DeepSMILES:
OcccOCC)C)C=Cc6cc%10c=O)cc[nH]6)cccc6

Functional groups:
c=O, cC=CC, cO, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 2.097

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Chemical structure download